D319-0027 Screening compound: N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3-thiadiazole-4-carboxamide

D319-0027 Screening compound: N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3-thiadiazole-4-carboxamide
D319-0027 Screening compound: N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0027
N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3-thiadiazole-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D319-0027

Molecular Formula

C17H20N4O3S2 (C17 H20 N4 O3 S2)

Compound Name

N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3-thiadiazole-4-carboxamide

IUPAC name

N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4567-tetrahydro-1-benzothiophen-2-yl)-123-thiadiazole-4-carboxamide

SMILES

O=C(c1csnn1)Nc1c(C(NCC2OCCC2)=O)c(CCCC2)c2s1

InChI

InChI=1S/C17H20N4O3S2/c22-15(12-9-25-21-20-12)19-17-14(11-5-1-2-6-13(11)26-17)16(23)18-8-10-4-3-7-24-10/h9-10H,1-8H2,(H,18,23)(H,19,22)/t10-/m1/s1

InChI Key

PUWKTEJOHQLSEU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD08545717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

-0.107

Water Solubility, LogSw

-2.41

Polar Surface Area

77.718

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

D319-0027 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D319-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0027?
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What is the minimum amount of D319-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0027
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D319-0027 available by request